#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wub s ILE 17 N 0.00 4.03 0.00 1.39 -4.36 -1.08 -4.78 121.20 116.40 2wub s ILE 17 Ca 0.00 1.08 0.00 0.00 -0.26 0.00 0.00 60.65 61.47 2wub s ILE 17 Cb 0.00 -4.27 0.00 0.00 1.25 0.00 0.00 42.46 39.44 2wub s ILE 17 CO 0.00 -0.73 0.00 0.61 0.24 0.00 0.00 174.94 175.06 2wub n GLY 18 N 4.82 0.07 5.71 6.27 0.00 -1.26 -1.60 105.19 119.20 2wub n GLY 18 Ca 0.15 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.32 2wub n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wub n GLY 19 N 0.00 -0.86 0.00 -0.02 0.00 -1.26 -4.85 105.19 98.20 2wub n GLY 19 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 2wub n GLY 19 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wub n SER 20 N -3.48 0.00 -4.95 1.61 3.41 -1.15 -4.99 113.62 104.06 2wub n SER 20 Ca 0.00 -0.38 -0.21 0.00 -0.26 0.00 0.00 58.87 58.03 2wub n SER 20 Cb 0.11 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.10 2wub n SER 20 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wub s SER 21 N -1.00 5.23 0.19 4.04 0.15 -1.26 -3.28 113.70 117.77 2wub s SER 21 Ca 0.00 -0.11 0.10 0.00 0.70 0.00 0.00 55.95 56.64 2wub s SER 21 Cb 0.00 -0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 63.52 2wub s SER 21 CO 0.00 -1.17 -0.20 -0.55 1.20 0.00 0.00 173.24 172.53 2wub s SER 22 N -4.45 2.95 0.16 5.45 0.15 -0.94 -4.60 113.70 112.42 2wub s SER 22 Ca 0.58 -0.89 0.08 0.00 0.70 0.00 0.00 55.95 56.42 2wub s SER 22 Cb -0.10 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 63.98 2wub s SER 22 CO 0.38 0.00 -0.10 -0.76 1.20 0.00 0.00 173.24 173.96 2wub s LEU 23 N -2.81 2.96 0.14 3.45 1.43 -1.26 -4.78 118.68 117.81 2wub s LEU 23 Ca 0.19 -0.53 -0.32 0.00 -1.03 0.00 0.00 54.13 52.44 2wub s LEU 23 Cb -0.06 -1.68 -0.12 0.00 0.03 0.00 0.00 46.19 44.36 2wub s LEU 23 CO 0.08 0.13 1.77 -2.65 0.23 0.00 0.00 176.35 175.91 2wub n PRO 24 N 0.27 2.65 -0.04 1.29 -0.02 -1.26 -1.45 135.00 136.44 2wub n PRO 24 Ca -0.12 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 2wub n PRO 24 Cb 0.54 -2.82 0.00 0.00 -0.02 0.00 0.00 33.50 31.21 2wub n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wub n GLY 25 N 4.04 0.61 0.26 -1.23 0.00 -1.26 -4.90 105.19 102.70 2wub n GLY 25 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2wub n GLY 25 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wub h SER 26 N 0.00 0.00 -1.74 1.61 0.02 -1.59 -3.29 113.55 108.56 2wub h SER 26 Ca 0.00 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.44 2wub h SER 26 Cb 0.00 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 62.18 2wub h SER 26 CO 0.00 0.14 -1.04 1.41 -1.14 0.00 0.00 176.83 176.20 2wub n HIS 27 N -3.69 -0.71 0.29 3.45 8.25 -1.26 -4.97 115.22 116.58 2wub n HIS 27 Ca -0.02 -3.35 0.19 0.00 -0.26 0.00 0.00 57.72 54.28 2wub n HIS 27 Cb 0.25 -0.10 0.95 0.00 1.12 0.00 0.00 29.99 32.20 2wub n HIS 27 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2wub h PRO 28 N 3.91 0.00 0.00 -0.41 0.13 -1.76 -1.45 132.00 132.43 2wub h PRO 28 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 2wub h PRO 28 Cb 0.91 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.04 2wub h PRO 28 CO 0.44 0.00 -0.69 0.11 -0.23 0.00 0.00 178.00 177.64 2wub h TRP 29 N 0.00 0.00 -3.08 1.56 0.09 -1.61 -2.59 115.95 110.33 2wub h TRP 29 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 58.89 58.45 2wub h TRP 29 Cb 0.10 0.00 0.07 0.00 0.08 0.00 0.00 29.16 29.41 2wub h TRP 29 CO 0.00 0.04 0.91 -1.17 0.09 0.00 0.00 178.44 178.31 2wub s LEU 30 N -5.68 4.36 0.01 0.11 2.96 -0.55 -1.29 118.68 118.60 2wub s LEU 30 Ca 0.02 2.85 0.08 0.00 -0.22 0.00 0.00 54.13 56.86 2wub s LEU 30 Cb 0.08 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 43.13 2wub s LEU 30 CO 0.75 -0.89 -0.24 0.00 -1.32 0.00 0.00 176.35 174.65 2wub s ALA 31 N 0.49 2.00 -0.28 5.97 0.00 -0.44 -4.26 121.76 125.24 2wub s ALA 31 Ca 0.67 -1.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.44 2wub s ALA 31 Cb -0.47 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 2wub s ALA 31 CO 0.41 0.48 0.15 0.00 0.00 0.00 0.00 175.76 176.80 2wub s ALA 32 N -0.66 3.40 -0.35 0.00 0.00 -0.62 -1.66 121.76 121.87 2wub s ALA 32 Ca 0.09 -1.14 -0.07 0.00 0.00 0.00 0.00 51.96 50.84 2wub s ALA 32 Cb -0.09 -2.37 0.04 0.00 0.00 0.00 0.00 23.12 20.70 2wub s ALA 32 CO 0.00 -0.58 0.13 0.42 0.00 0.00 0.00 175.76 175.73 2wub s ILE 33 N 1.71 3.97 -0.63 0.00 1.01 -0.19 -0.64 121.20 126.43 2wub s ILE 33 Ca 0.07 -1.05 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 2wub s ILE 33 Cb -0.16 -3.23 0.12 0.00 0.01 0.00 0.00 42.46 39.20 2wub s ILE 33 CO 0.08 -0.18 0.70 -0.31 0.00 0.00 0.00 174.94 175.24 2wub s TYR 34 N 1.44 3.11 -1.07 3.97 2.02 0.79 -1.66 117.35 125.96 2wub s TYR 34 Ca -0.01 -1.14 -0.08 0.00 -0.37 0.00 0.00 57.07 55.48 2wub s TYR 34 Cb -0.19 -3.98 0.27 0.00 -0.40 0.00 0.00 41.96 37.65 2wub s TYR 34 CO 0.04 -1.24 1.05 0.42 -1.57 0.00 0.00 175.55 174.25 2wub s ILE 35 N 2.28 5.73 0.00 2.71 1.01 -1.15 -0.96 121.20 130.82 2wub s ILE 35 Ca 0.12 -3.49 0.00 0.00 0.00 0.00 0.00 60.65 57.28 2wub s ILE 35 Cb -0.23 -4.45 0.00 0.00 0.01 0.00 0.00 42.46 37.79 2wub s ILE 35 CO 0.03 -1.17 0.00 0.61 0.00 0.00 0.00 174.94 174.42 2wub n GLY 36 N 2.65 1.72 0.00 6.18 0.00 -0.54 -2.63 105.19 112.57 2wub n GLY 36 Ca 0.23 0.03 0.03 0.00 0.00 0.00 0.00 46.02 46.31 2wub n GLY 36 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wub n ASP 39 N 7.58 1.39 -1.73 1.61 10.43 -1.26 -5.02 116.55 129.54 2wub n ASP 39 Ca 0.00 -0.43 0.00 0.00 2.57 0.00 0.00 54.79 56.93 2wub n ASP 39 Cb 0.00 1.09 0.00 0.00 1.84 0.00 0.00 41.12 44.05 2wub n ASP 39 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 2wub n SER 40 N -1.33 0.00 -3.62 -2.24 2.88 -1.08 -5.14 113.62 103.09 2wub n SER 40 Ca 0.00 -0.62 -0.14 0.00 -1.33 0.00 0.00 58.87 56.78 2wub n SER 40 Cb 0.11 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.50 2wub n SER 40 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wub s PHE 41 N 0.52 -0.76 0.23 0.66 5.36 -1.26 -2.94 117.98 119.78 2wub s PHE 41 Ca 0.00 1.81 -0.06 0.00 -0.96 0.00 0.00 56.93 57.72 2wub s PHE 41 Cb 0.00 0.29 -0.02 0.00 -0.34 0.00 0.00 43.02 42.95 2wub s PHE 41 CO 0.00 -0.40 0.31 0.00 -1.46 0.00 0.00 175.22 173.67 2wub s ALA 43 N -4.02 3.14 0.37 0.00 0.00 -0.71 -1.02 121.76 119.52 2wub s ALA 43 Ca 0.31 -2.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.12 2wub s ALA 43 Cb 0.03 -0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2wub s ALA 43 CO 0.12 0.02 0.60 0.20 0.00 0.00 0.00 175.76 176.69 2wub s GLY 44 N -3.69 1.17 -0.08 0.00 0.00 -0.66 -4.06 107.32 100.00 2wub s GLY 44 Ca 0.34 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 43.77 2wub s GLY 44 CO 0.18 -0.78 -0.06 -0.56 0.00 0.00 0.00 173.10 171.89 2wub s SER 45 N -3.20 1.62 -0.12 1.64 0.01 -0.15 -1.33 113.70 112.18 2wub s SER 45 Ca 0.26 -0.20 -0.29 0.00 1.31 0.00 0.00 55.95 57.02 2wub s SER 45 Cb -0.02 -0.64 -0.03 0.00 0.21 0.00 0.00 66.02 65.55 2wub s SER 45 CO 0.18 -0.09 1.30 -0.22 0.41 0.00 0.00 173.24 174.82 2wub s LEU 46 N 1.35 4.23 0.00 2.44 2.96 -0.41 -0.39 118.68 128.86 2wub s LEU 46 Ca -0.03 1.81 0.06 0.00 -0.22 0.00 0.00 54.13 55.75 2wub s LEU 46 Cb -0.14 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.01 2wub s LEU 46 CO -0.03 -0.74 0.50 1.33 -1.32 0.00 0.00 176.35 176.09 2wub n VAL 47 N 5.16 0.00 -3.50 1.68 0.24 -0.56 -0.12 118.33 121.23 2wub n VAL 47 Ca 0.14 -0.44 -0.10 0.00 -2.04 0.00 0.00 64.34 61.89 2wub n VAL 47 Cb 0.45 1.08 -0.02 0.00 -1.47 0.00 0.00 33.84 33.87 2wub n VAL 47 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2wub s HIS 48 N -0.99 -0.43 0.55 6.34 5.65 -1.19 -4.82 115.29 120.40 2wub s HIS 48 Ca 0.05 0.21 0.25 0.00 0.25 0.00 0.00 55.06 55.83 2wub s HIS 48 Cb 0.05 0.57 1.48 0.00 -1.18 0.00 0.00 32.58 33.50 2wub s HIS 48 CO 0.15 -0.81 2.05 0.00 -0.65 0.00 0.00 174.74 175.47 2wub h THR 49 N 2.00 0.65 0.00 0.89 1.03 -1.96 -2.75 112.91 112.77 2wub h THR 49 Ca -0.29 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.11 2wub h THR 49 Cb 1.28 0.80 0.00 0.00 -1.07 0.00 0.00 68.15 69.16 2wub h THR 49 CO 0.34 0.00 -0.01 0.00 -0.01 0.00 0.00 175.52 175.84 2wub s TRP 51 N -1.23 1.60 -0.03 0.00 0.52 -1.04 -0.74 118.94 118.02 2wub s TRP 51 Ca 0.05 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.81 2wub s TRP 51 Cb 0.05 -1.06 -0.00 0.00 -1.15 0.00 0.00 33.47 31.30 2wub s TRP 51 CO 0.00 -0.11 -0.13 0.08 0.02 0.00 0.00 176.95 176.81 2wub s VAL 52 N -0.12 1.12 -0.21 4.03 1.01 -0.02 -1.50 120.40 124.71 2wub s VAL 52 Ca 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2wub s VAL 52 Cb -0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 2wub s VAL 52 CO 0.01 0.33 0.10 -0.69 0.00 0.00 0.00 175.10 174.85 2wub s VAL 53 N 0.02 4.90 0.00 2.92 1.01 0.47 -0.22 120.40 129.51 2wub s VAL 53 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2wub s VAL 53 Cb -0.09 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2wub s VAL 53 CO 0.01 0.40 0.00 -0.24 0.00 0.00 0.00 175.10 175.27 2wub n SER 54 N 4.00 0.00 -4.81 3.32 2.88 -0.26 -0.98 113.62 117.77 2wub n SER 54 Ca -0.16 -0.93 -0.38 0.00 -1.33 0.00 0.00 58.87 56.07 2wub n SER 54 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 2wub n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wub s ALA 55 N -1.94 3.55 0.21 -1.46 0.00 -1.26 -0.25 121.76 120.60 2wub s ALA 55 Ca 0.00 0.06 0.29 0.00 0.00 0.00 0.00 51.96 52.31 2wub s ALA 55 Cb 0.00 -2.68 1.28 0.00 0.00 0.00 0.00 23.12 21.73 2wub s ALA 55 CO 0.00 0.39 1.97 0.00 0.00 0.00 0.00 175.76 178.11 2wub h ALA 56 N 4.15 1.06 0.00 0.00 0.00 -1.74 -2.93 119.26 119.80 2wub h ALA 56 Ca -0.49 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2wub h ALA 56 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wub h ALA 56 CO 0.64 0.14 0.00 -2.39 0.00 0.00 0.00 179.25 177.64 2wub n HIS 57 N -3.31 0.04 1.54 0.00 1.44 -1.26 -2.53 115.22 111.14 2wub n HIS 57 Ca -0.00 0.01 0.15 0.00 -2.01 0.00 0.00 57.72 55.87 2wub n HIS 57 Cb 0.32 -0.52 0.79 0.00 0.12 0.00 0.00 29.99 30.70 2wub n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wub n PHE 59 N -1.20 0.00 0.17 0.00 3.72 -1.05 -4.81 117.46 114.29 2wub n PHE 59 Ca 0.16 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.64 2wub n PHE 59 Cb 0.22 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.15 2wub n PHE 59 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2wub h SER 60 N 0.00 0.00 -0.43 4.37 4.64 -1.54 0.62 113.55 121.21 2wub h SER 60 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wub h SER 60 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2wub h SER 60 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2wub n HIS 60 N -2.10 1.36 -1.20 4.77 1.44 -1.26 -5.05 115.22 113.18 2wub n HIS 60 Ca -0.01 -0.49 0.00 0.00 -2.01 0.00 0.00 57.72 55.21 2wub n HIS 60 Cb 0.30 -0.33 0.00 0.00 0.12 0.00 0.00 29.99 30.08 2wub n HIS 60 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2wub n SER 60 N 0.55 -0.03 -4.57 4.39 7.64 0.22 -5.22 113.62 116.61 2wub n SER 60 Ca 0.19 0.40 -0.34 0.00 1.01 0.00 0.00 58.87 60.13 2wub n SER 60 Cb 0.85 -1.51 -0.11 0.00 -1.01 0.00 0.00 64.21 62.43 2wub n SER 60 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 2wub s PRO 60 N -2.21 3.84 0.45 1.43 0.02 -1.26 -5.18 135.00 132.09 2wub s PRO 60 Ca 0.00 -0.42 0.24 0.00 0.02 0.00 0.00 61.00 60.84 2wub s PRO 60 Cb 0.00 -3.13 1.25 0.00 0.02 0.00 0.00 34.50 32.64 2wub s PRO 60 CO 0.00 0.21 1.80 0.00 -0.33 0.00 0.00 177.00 178.68 2wub h ARG 61 N 6.88 0.25 -0.00 5.54 3.08 -1.96 0.32 114.38 128.49 2wub h ARG 61 Ca -0.35 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2wub h ARG 61 Cb 1.18 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.17 2wub h ARG 61 CO 0.66 0.17 0.00 -0.44 -1.07 0.00 0.00 179.97 179.29 2wub h ASP 62 N 0.26 0.00 -0.34 7.04 5.19 -2.01 -0.88 116.42 125.68 2wub h ASP 62 Ca 0.56 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.97 2wub h ASP 62 Cb 1.69 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.20 2wub h ASP 62 CO -0.19 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.39 2wub n SER 63 N -3.17 3.12 -4.57 6.45 3.41 0.11 -4.90 113.62 114.08 2wub n SER 63 Ca -0.03 -1.95 -0.36 0.00 -0.26 0.00 0.00 58.87 56.27 2wub n SER 63 Cb 0.07 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 63.70 2wub n SER 63 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wub s VAL 64 N -1.57 4.77 -0.08 -3.33 1.01 -0.34 -1.47 120.40 119.40 2wub s VAL 64 Ca 0.37 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.35 2wub s VAL 64 Cb 0.22 -3.20 0.01 0.00 0.00 0.00 0.00 36.38 33.40 2wub s VAL 64 CO 0.31 0.38 -0.15 -0.55 0.00 0.00 0.00 175.10 175.09 2wub s SER 65 N 1.06 2.10 -0.20 3.32 0.15 -0.13 -3.62 113.70 116.37 2wub s SER 65 Ca 0.05 -0.36 -0.03 0.00 0.70 0.00 0.00 55.95 56.31 2wub s SER 65 Cb -0.14 -0.96 -0.01 0.00 -1.71 0.00 0.00 66.02 63.20 2wub s SER 65 CO 0.04 0.05 -0.07 -0.69 1.20 0.00 0.00 173.24 173.77 2wub s VAL 66 N 0.64 3.16 -0.18 4.45 1.01 -0.02 -0.15 120.40 129.32 2wub s VAL 66 Ca -0.14 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2wub s VAL 66 Cb -0.16 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 2wub s VAL 66 CO 0.04 0.45 -0.11 -0.69 0.00 0.00 0.00 175.10 174.79 2wub s VAL 67 N 1.31 2.97 0.13 2.92 1.01 0.19 0.93 120.40 129.86 2wub s VAL 67 Ca 0.04 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2wub s VAL 67 Cb -0.14 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 2wub s VAL 67 CO -0.04 0.49 0.22 -0.76 0.00 0.00 0.00 175.10 175.01 2wub s LEU 68 N 1.00 4.19 -1.16 3.92 1.43 0.06 -1.59 118.68 126.54 2wub s LEU 68 Ca -0.01 0.12 -0.06 0.00 -1.03 0.00 0.00 54.13 53.15 2wub s LEU 68 Cb -0.15 -2.79 0.01 0.00 0.03 0.00 0.00 46.19 43.29 2wub s LEU 68 CO -0.02 0.09 1.01 0.61 0.23 0.00 0.00 176.35 178.27 2wub n GLY 69 N -0.24 -0.34 3.74 -3.19 0.00 -1.25 -0.57 105.19 103.34 2wub n GLY 69 Ca -0.07 0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2wub n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2wub s GLN 70 N -5.93 3.41 -0.09 1.61 0.74 -1.26 -3.95 119.66 114.18 2wub s GLN 70 Ca 0.40 -0.29 0.02 0.00 0.05 0.00 0.00 55.36 55.53 2wub s GLN 70 Cb -0.17 -3.05 -0.07 0.00 1.10 0.00 0.00 33.01 30.82 2wub s GLN 70 CO 0.64 0.62 -0.07 1.58 -0.55 0.00 0.00 175.29 177.52 2wub n HIS 71 N 2.45 0.00 -4.03 1.67 -0.00 -1.26 -4.93 115.22 109.11 2wub n HIS 71 Ca -0.19 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.20 2wub n HIS 71 Cb 0.54 -0.36 -0.06 0.00 -0.00 0.00 0.00 29.99 30.10 2wub n HIS 71 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2wub s PHE 72 N -2.19 3.41 0.03 1.57 0.08 -1.26 -0.63 117.98 118.98 2wub s PHE 72 Ca -0.11 0.30 -0.30 0.00 0.12 0.00 0.00 56.93 56.94 2wub s PHE 72 Cb 0.03 -1.80 -0.07 0.00 -0.57 0.00 0.00 43.02 40.61 2wub s PHE 72 CO 0.23 0.60 1.48 0.12 -0.10 0.00 0.00 175.22 177.56 2wub s PHE 73 N -1.18 2.75 -1.66 0.36 5.36 0.66 -2.80 117.98 121.47 2wub s PHE 73 Ca 0.22 0.67 0.00 0.00 -0.96 0.00 0.00 56.93 56.86 2wub s PHE 73 Cb -0.12 -3.76 0.00 0.00 -0.34 0.00 0.00 43.02 38.80 2wub s PHE 73 CO 0.13 -2.89 0.00 -1.71 -1.46 0.00 0.00 175.22 169.29 2wub n ASN 74 N 5.34 -5.27 -3.94 6.13 5.15 -1.26 -4.98 115.26 116.44 2wub n ASN 74 Ca 0.14 0.11 -0.26 0.00 -0.60 0.00 0.00 54.58 53.97 2wub n ASN 74 Cb 0.43 -4.34 -0.17 0.00 -0.53 0.00 0.00 39.78 35.16 2wub n ASN 74 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2wub s ARG 75 N -4.54 1.58 -0.12 1.20 1.81 -1.12 -5.11 118.95 112.63 2wub s ARG 75 Ca 0.00 -0.30 -0.08 0.00 -1.72 0.00 0.00 55.73 53.62 2wub s ARG 75 Cb 0.00 -1.53 -0.04 0.00 -0.45 0.00 0.00 34.95 32.93 2wub s ARG 75 CO 0.00 -0.18 0.17 -0.08 -0.68 0.00 0.00 175.30 174.53 2wub s THR 76 N 1.39 5.45 0.00 0.02 -1.32 -1.26 -4.60 115.64 115.32 2wub s THR 76 Ca -0.01 0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 2wub s THR 76 Cb -0.13 -3.45 0.00 0.00 -1.51 0.00 0.00 72.50 67.41 2wub s THR 76 CO -0.05 0.58 0.00 0.35 -2.21 0.00 0.00 174.62 173.29 2wub n THR 77 N 2.27 0.00 1.27 5.08 -2.24 -1.26 -5.02 114.28 114.38 2wub n THR 77 Ca -0.19 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.73 2wub n THR 77 Cb 0.54 0.00 0.48 0.00 -2.10 0.00 0.00 70.33 69.25 2wub n THR 77 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2wub n ASP 78 N -0.11 0.63 -0.05 3.42 5.75 -1.26 -3.82 116.55 121.11 2wub n ASP 78 Ca 0.00 -0.56 0.02 0.00 -0.01 0.00 0.00 54.79 54.24 2wub n ASP 78 Cb 0.00 0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.09 2wub n ASP 78 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 2wub n VAL 79 N -0.96 0.00 -2.69 2.12 0.24 -1.26 -5.02 118.33 110.76 2wub n VAL 79 Ca 0.12 -0.44 -0.39 0.00 -2.04 0.00 0.00 64.34 61.59 2wub n VAL 79 Cb 0.31 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.65 2wub n VAL 79 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2wub s THR 80 N -1.08 3.96 -0.31 3.34 -4.23 -1.25 -4.68 115.64 111.38 2wub s THR 80 Ca 0.02 1.84 0.03 0.00 -1.18 0.00 0.00 61.69 62.40 2wub s THR 80 Cb 0.03 -4.12 0.08 0.00 1.34 0.00 0.00 72.50 69.84 2wub s THR 80 CO 0.13 0.34 -0.00 -1.10 -0.54 0.00 0.00 174.62 173.44 2wub s GLN 81 N -1.57 1.84 0.00 3.99 -0.21 0.27 -4.82 119.66 119.16 2wub s GLN 81 Ca 0.45 -1.65 -0.22 0.00 0.02 0.00 0.00 55.36 53.96 2wub s GLN 81 Cb -0.25 -3.11 -0.05 0.00 1.00 0.00 0.00 33.01 30.60 2wub s GLN 81 CO 0.31 -0.80 0.66 0.99 -2.12 0.00 0.00 175.29 174.33 2wub s THR 82 N 1.00 4.87 0.14 -0.19 2.01 -1.26 -0.76 115.64 121.45 2wub s THR 82 Ca 0.03 1.38 0.04 0.00 0.31 0.00 0.00 61.69 63.45 2wub s THR 82 Cb -0.20 -4.00 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2wub s THR 82 CO -0.06 0.38 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.79 2wub s PHE 83 N -0.04 1.22 0.11 4.92 0.40 0.27 -4.98 117.98 119.88 2wub s PHE 83 Ca 0.34 -0.78 0.04 0.00 -0.60 0.00 0.00 56.93 55.93 2wub s PHE 83 Cb -0.19 -0.63 -0.04 0.00 0.51 0.00 0.00 43.02 42.67 2wub s PHE 83 CO 0.19 0.06 0.09 0.20 0.70 0.00 0.00 175.22 176.46 2wub s GLY 84 N -3.15 1.90 0.19 4.36 0.00 -1.26 -0.84 107.32 108.51 2wub s GLY 84 Ca 0.16 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 43.72 2wub s GLY 84 CO -0.00 -1.09 0.45 -0.26 0.00 0.00 0.00 173.10 172.20 2wub s ILE 85 N -1.52 5.08 -0.13 0.90 -4.36 -1.24 -0.58 121.20 119.36 2wub s ILE 85 Ca 0.30 0.15 0.18 0.00 -0.26 0.00 0.00 60.65 61.02 2wub s ILE 85 Cb -0.11 -3.64 -0.17 0.00 1.25 0.00 0.00 42.46 39.79 2wub s ILE 85 CO 0.22 -0.04 0.67 -0.62 0.24 0.00 0.00 174.94 175.41 2wub n GLU 86 N -0.12 0.64 0.00 0.37 -0.58 0.16 -4.77 120.64 116.34 2wub n GLU 86 Ca -0.01 0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2wub n GLU 86 Cb 0.52 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2wub n GLU 86 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2wub n LYS 87 N -2.77 0.00 -4.36 3.49 2.85 -1.20 -5.00 118.16 111.16 2wub n LYS 87 Ca -0.12 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.88 2wub n LYS 87 Cb 0.84 0.00 -0.17 0.00 -0.65 0.00 0.00 35.03 35.05 2wub n LYS 87 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 2wub s TYR 88 N -2.00 1.55 -0.38 5.58 1.13 -1.26 -1.65 117.35 120.31 2wub s TYR 88 Ca 0.00 -0.66 -0.04 0.00 -1.41 0.00 0.00 57.07 54.96 2wub s TYR 88 Cb 0.00 -1.17 0.09 0.00 -1.10 0.00 0.00 41.96 39.77 2wub s TYR 88 CO 0.00 -0.38 0.17 0.42 -2.51 0.00 0.00 175.55 173.25 2wub s ILE 89 N 1.02 3.42 0.99 -3.49 1.01 -0.05 -4.93 121.20 119.17 2wub s ILE 89 Ca -0.08 -1.74 -0.12 0.00 0.00 0.00 0.00 60.65 58.71 2wub s ILE 89 Cb -0.15 -3.20 0.18 0.00 0.01 0.00 0.00 42.46 39.31 2wub s ILE 89 CO -0.01 -0.50 1.10 -2.84 0.00 0.00 0.00 174.94 172.69 2wub s PRO 90 N 1.23 0.53 0.23 2.79 0.02 -1.26 -0.53 135.00 138.01 2wub s PRO 90 Ca 0.04 0.45 -0.30 0.00 0.02 0.00 0.00 61.00 61.20 2wub s PRO 90 Cb -0.22 -1.75 -0.09 0.00 0.02 0.00 0.00 34.50 32.45 2wub s PRO 90 CO -0.02 -2.65 1.36 -0.47 -0.33 0.00 0.00 177.00 174.90 2wub s TYR 91 N -3.04 3.15 0.50 6.54 5.04 -0.47 -4.83 117.35 124.23 2wub s TYR 91 Ca 0.65 1.15 0.41 0.00 -2.44 0.00 0.00 57.07 56.84 2wub s TYR 91 Cb -0.18 -3.69 1.61 0.00 0.35 0.00 0.00 41.96 40.04 2wub s TYR 91 CO 0.57 -2.20 1.58 1.15 -1.34 0.00 0.00 175.55 175.31 2wub h THR 92 N 3.61 0.02 -0.27 4.34 2.02 -1.91 0.13 112.91 120.85 2wub h THR 92 Ca -0.45 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2wub h THR 92 Cb 1.22 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2wub h THR 92 CO 0.77 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.84 2wub n LEU 93 N -4.36 2.69 -4.70 2.58 4.77 -1.26 -5.00 117.00 111.72 2wub n LEU 93 Ca 0.42 -1.77 -0.44 0.00 -0.03 0.00 0.00 56.01 54.19 2wub n LEU 93 Cb 1.76 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 42.64 2wub n LEU 93 CO 0.31 0.65 1.29 0.00 -1.33 0.00 0.00 177.39 178.30 2wub n TYR 94 N 0.54 2.55 -4.71 -1.77 9.36 0.44 -4.97 117.16 118.60 2wub n TYR 94 Ca 0.10 0.15 -0.33 0.00 3.32 0.00 0.00 57.90 61.14 2wub n TYR 94 Cb 0.39 -2.61 -0.15 0.00 -0.63 0.00 0.00 39.34 36.34 2wub n TYR 94 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2wub s SER 95 N 1.03 3.94 0.34 2.98 0.15 -1.26 -4.96 113.70 115.92 2wub s SER 95 Ca 0.76 -0.36 0.08 0.00 0.70 0.00 0.00 55.95 57.13 2wub s SER 95 Cb -0.58 -1.60 0.62 0.00 -1.71 0.00 0.00 66.02 62.75 2wub s SER 95 CO 0.35 0.14 1.82 1.62 1.20 0.00 0.00 173.24 178.38 2wub h VAL 96 N 5.47 1.23 -0.31 4.45 3.04 -1.96 -2.30 116.25 125.88 2wub h VAL 96 Ca -0.27 -1.08 -0.11 0.00 -1.01 0.00 0.00 66.70 64.23 2wub h VAL 96 Cb 1.21 1.37 -0.07 0.00 -2.01 0.00 0.00 31.29 31.79 2wub h VAL 96 CO 0.56 0.33 0.14 0.49 -1.01 0.00 0.00 177.57 178.08 2wub n PHE 97 N -4.17 1.02 -2.70 3.17 0.99 -1.26 -3.55 117.46 110.95 2wub n PHE 97 Ca -0.01 -0.69 -0.06 0.00 -0.00 0.00 0.00 57.45 56.69 2wub n PHE 97 Cb 0.35 -0.40 0.09 0.00 -1.00 0.00 0.00 39.48 38.52 2wub n PHE 97 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2wub n ASN 98 N 0.04 -1.78 -0.26 4.37 5.15 -0.88 -5.07 115.26 116.82 2wub n ASN 98 Ca 0.18 -2.66 0.06 0.00 -0.60 0.00 0.00 54.58 51.56 2wub n ASN 98 Cb 0.80 1.41 0.20 0.00 -0.53 0.00 0.00 39.78 41.66 2wub n ASN 98 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wub h PRO 99 N 2.31 0.36 -0.16 1.20 0.13 -1.56 -2.94 132.00 131.34 2wub h PRO 99 Ca -0.26 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 64.89 2wub h PRO 99 Cb 1.19 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2wub h PRO 99 CO 0.00 0.24 0.27 0.66 -0.23 0.00 0.00 178.00 178.94 2wub h SER 99 N 0.37 0.00 -2.85 1.44 4.64 -1.94 -3.38 113.55 111.83 2wub h SER 99 Ca 0.43 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 61.11 2wub h SER 99 Cb 0.71 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.72 2wub h SER 99 CO -0.46 0.00 -0.45 -0.62 -0.87 0.00 0.00 176.83 174.43 2wub s ASP 100 N -5.21 6.39 -1.58 4.97 2.15 -1.11 -4.20 116.67 118.07 2wub s ASP 100 Ca -0.04 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.40 2wub s ASP 100 Cb 0.13 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.65 2wub s ASP 100 CO 0.45 0.33 0.00 1.41 -0.17 0.00 0.00 175.17 177.20 2wub n HIS 101 N 2.40 -0.77 -1.88 -5.34 8.25 -1.26 -4.47 115.22 112.15 2wub n HIS 101 Ca -0.18 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 56.96 2wub n HIS 101 Cb 0.54 -3.52 -0.06 0.00 1.12 0.00 0.00 29.99 28.07 2wub n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wub n ASP 102 N -1.40 3.03 -3.71 0.41 2.03 -1.26 -4.56 116.55 111.10 2wub n ASP 102 Ca -0.21 -2.70 -0.11 0.00 0.52 0.00 0.00 54.79 52.28 2wub n ASP 102 Cb 0.66 -1.60 -0.12 0.00 -0.72 0.00 0.00 41.12 39.34 2wub n ASP 102 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2wub s LEU 103 N 8.51 0.09 0.03 -2.67 2.96 -1.26 -3.95 118.68 122.39 2wub s LEU 103 Ca 0.65 0.76 0.03 0.00 -0.22 0.00 0.00 54.13 55.35 2wub s LEU 103 Cb 0.03 1.12 -0.02 0.00 0.50 0.00 0.00 46.19 47.82 2wub s LEU 103 CO 0.13 -0.18 -0.09 0.54 -1.32 0.00 0.00 176.35 175.43 2wub s VAL 104 N 1.36 0.66 -0.30 1.68 0.11 0.65 -1.37 120.40 123.20 2wub s VAL 104 Ca -0.09 -0.80 -0.05 0.00 -2.93 0.00 0.00 61.98 58.11 2wub s VAL 104 Cb -0.09 -0.64 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 2wub s VAL 104 CO -0.11 -0.12 0.05 -0.76 -3.33 0.00 0.00 175.10 170.82 2wub s LEU 105 N -1.01 3.83 -0.17 2.54 1.43 0.31 -1.11 118.68 124.50 2wub s LEU 105 Ca -0.03 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 52.03 2wub s LEU 105 Cb -0.07 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 2wub s LEU 105 CO 0.00 -0.22 0.21 -0.63 0.23 0.00 0.00 176.35 175.94 2wub s ILE 106 N 1.41 5.36 -0.23 -0.59 1.01 0.69 -0.87 121.20 127.98 2wub s ILE 106 Ca -0.00 0.36 -0.06 0.00 0.00 0.00 0.00 60.65 60.95 2wub s ILE 106 Cb -0.18 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 2wub s ILE 106 CO 0.01 0.45 0.04 -0.60 0.00 0.00 0.00 174.94 174.83 2wub s ARG 107 N 0.16 3.64 0.66 2.79 3.52 -0.66 -0.84 118.95 128.21 2wub s ARG 107 Ca 0.13 -0.49 -0.11 0.00 -0.13 0.00 0.00 55.73 55.13 2wub s ARG 107 Cb -0.12 -3.22 -0.02 0.00 -1.56 0.00 0.00 34.95 30.03 2wub s ARG 107 CO 0.02 -0.10 1.05 -0.51 -0.81 0.00 0.00 175.30 174.95 2wub s LEU 108 N 1.35 3.11 0.09 -0.88 1.43 0.08 0.40 118.68 124.25 2wub s LEU 108 Ca 0.05 1.35 -0.26 0.00 -1.03 0.00 0.00 54.13 54.24 2wub s LEU 108 Cb -0.15 -4.30 -0.06 0.00 0.03 0.00 0.00 46.19 41.71 2wub s LEU 108 CO 0.02 -1.08 0.82 -0.54 0.23 0.00 0.00 176.35 175.80 2wub s LYS 109 N -5.22 4.57 0.64 1.70 1.02 0.25 -4.49 119.74 118.21 2wub s LYS 109 Ca 0.56 1.18 -0.17 0.00 0.02 0.00 0.00 55.97 57.57 2wub s LYS 109 Cb -0.11 -3.34 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2wub s LYS 109 CO 0.53 0.34 1.17 0.15 -0.92 0.00 0.00 175.35 176.63 2wub s LYS 110 N -0.34 2.76 -0.36 1.68 1.02 -1.26 -4.71 119.74 118.53 2wub s LYS 110 Ca 0.40 1.66 0.13 0.00 0.02 0.00 0.00 55.97 58.18 2wub s LYS 110 Cb -0.22 -1.92 0.45 0.00 -0.52 0.00 0.00 37.83 35.62 2wub s LYS 110 CO 0.25 -1.33 1.04 1.63 -0.92 0.00 0.00 175.35 176.02 2wub n LYS 111 N -2.06 2.24 0.00 1.68 4.76 -0.20 -4.96 118.16 119.62 2wub n LYS 111 Ca 0.12 -3.82 0.00 0.00 -2.87 0.00 0.00 58.31 51.74 2wub n LYS 111 Cb 0.51 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 2wub n LYS 111 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wub n GLY 111 N -0.31 0.19 0.11 0.72 0.00 -1.26 -4.61 105.19 100.03 2wub n GLY 111 Ca 0.23 -1.28 0.13 0.00 0.00 0.00 0.00 46.02 45.10 2wub n GLY 111 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2wub h ASP 111 N 0.00 0.00 -2.72 1.61 2.03 -2.03 -3.47 116.42 111.84 2wub h ASP 111 Ca 0.00 -0.06 -0.11 0.00 -0.73 0.00 0.00 57.03 56.13 2wub h ASP 111 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 2wub h ASP 111 CO 0.00 0.03 0.01 -2.11 -1.03 0.00 0.00 179.24 176.14 2wub n ARG 111 N -2.33 0.54 0.00 4.15 1.85 -1.26 -5.14 116.66 114.47 2wub n ARG 111 Ca 0.05 -1.58 0.00 0.00 -1.00 0.00 0.00 57.85 55.31 2wub n ARG 111 Cb 0.45 1.68 0.00 0.00 -1.05 0.00 0.00 32.46 33.54 2wub n ARG 111 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wub s ALA 112 N -3.33 3.44 -0.01 0.00 0.00 0.10 -4.70 121.76 117.26 2wub s ALA 112 Ca 0.00 1.28 0.04 0.00 0.00 0.00 0.00 51.96 53.28 2wub s ALA 112 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2wub s ALA 112 CO 0.00 -0.73 -0.13 0.95 0.00 0.00 0.00 175.76 175.85 2wub s THR 113 N -1.17 3.16 0.28 0.00 -4.23 -1.26 -4.76 115.64 107.66 2wub s THR 113 Ca 0.51 -0.85 -0.29 0.00 -1.18 0.00 0.00 61.69 59.88 2wub s THR 113 Cb -0.40 -2.30 -0.10 0.00 1.34 0.00 0.00 72.50 71.04 2wub s THR 113 CO 0.53 0.48 1.35 -0.13 -0.54 0.00 0.00 174.62 176.30 2wub s ARG 114 N -1.09 4.33 0.38 3.99 0.52 -1.26 -4.74 118.95 121.08 2wub s ARG 114 Ca 0.14 2.22 -0.13 0.00 -0.52 0.00 0.00 55.73 57.44 2wub s ARG 114 Cb -0.11 -3.10 0.05 0.00 0.52 0.00 0.00 34.95 32.31 2wub s ARG 114 CO 0.03 -0.27 0.73 -1.13 0.02 0.00 0.00 175.30 174.68 2wub n SER 115 N 1.58 -2.11 0.09 0.23 3.41 -0.69 -4.94 113.62 111.19 2wub n SER 115 Ca 0.03 -2.59 0.11 0.00 -0.26 0.00 0.00 58.87 56.15 2wub n SER 115 Cb 0.41 3.56 0.44 0.00 -0.26 0.00 0.00 64.21 68.36 2wub n SER 115 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2wub n GLN 116 N -0.53 0.14 0.00 4.33 7.27 -1.26 -2.91 117.38 124.42 2wub n GLN 116 Ca -0.07 0.35 0.00 0.00 0.07 0.00 0.00 57.00 57.35 2wub n GLN 116 Cb 0.58 -1.75 0.00 0.00 2.41 0.00 0.00 30.24 31.47 2wub n GLN 116 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 2wub n PHE 117 N -2.01 0.00 -3.61 3.69 3.72 -1.26 -4.54 117.46 113.45 2wub n PHE 117 Ca 0.03 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.13 2wub n PHE 117 Cb 0.23 0.00 -0.15 0.00 -0.94 0.00 0.00 39.48 38.62 2wub n PHE 117 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2wub s VAL 118 N -0.19 0.36 -0.01 -4.37 1.01 -1.15 -3.86 120.40 112.20 2wub s VAL 118 Ca 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 60.83 2wub s VAL 118 Cb 0.00 -1.29 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 2wub s VAL 118 CO 0.00 -0.74 -0.05 -1.10 0.00 0.00 0.00 175.10 173.21 2wub s GLN 119 N 1.75 0.44 0.06 2.72 -1.52 -0.97 -1.70 119.66 120.43 2wub s GLN 119 Ca 0.11 -0.18 -0.30 0.00 -1.95 0.00 0.00 55.36 53.04 2wub s GLN 119 Cb -0.17 -0.43 -0.05 0.00 -0.22 0.00 0.00 33.01 32.14 2wub s GLN 119 CO -0.27 0.10 0.98 -1.25 -0.25 0.00 0.00 175.29 174.59 2wub s PRO 120 N -0.05 4.62 0.61 2.91 0.04 -1.26 -1.69 135.00 140.18 2wub s PRO 120 Ca 0.01 1.45 -0.13 0.00 0.04 0.00 0.00 61.00 62.37 2wub s PRO 120 Cb -0.03 -3.41 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 2wub s PRO 120 CO -0.00 0.07 1.03 -1.50 0.04 0.00 0.00 177.00 176.64 2wub s ILE 121 N 0.49 4.34 0.32 0.56 2.07 0.83 -4.93 121.20 124.88 2wub s ILE 121 Ca 0.50 0.91 -0.23 0.00 -1.41 0.00 0.00 60.65 60.41 2wub s ILE 121 Cb -0.23 -3.63 -0.10 0.00 0.13 0.00 0.00 42.46 38.64 2wub s ILE 121 CO 0.29 -0.85 0.88 0.00 -1.91 0.00 0.00 174.94 173.35 2wub s LEU 123 N -2.27 4.39 1.03 0.00 1.43 -1.26 -1.18 118.68 120.83 2wub s LEU 123 Ca 0.51 0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 54.46 2wub s LEU 123 Cb -0.16 -2.72 0.21 0.00 0.03 0.00 0.00 46.19 43.54 2wub s LEU 123 CO 0.21 0.15 1.07 -2.16 0.23 0.00 0.00 176.35 175.86 2wub s PRO 124 N -0.27 0.13 0.22 1.29 0.04 -1.26 -4.91 135.00 130.23 2wub s PRO 124 Ca 0.26 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 61.86 2wub s PRO 124 Cb -0.17 -1.69 -0.07 0.00 0.04 0.00 0.00 34.50 32.61 2wub s PRO 124 CO 0.13 -2.97 0.58 -1.21 0.04 0.00 0.00 177.00 173.57 2wub s GLU 125 N -4.80 3.89 0.01 4.56 0.41 -1.26 -4.89 118.70 116.61 2wub s GLU 125 Ca 0.66 0.40 -0.38 0.00 -0.41 0.00 0.00 54.97 55.25 2wub s GLU 125 Cb -0.20 -2.71 -0.17 0.00 -1.78 0.00 0.00 34.13 29.27 2wub s GLU 125 CO 0.60 0.35 1.42 -2.30 -0.49 0.00 0.00 175.26 174.83 2wub n PRO 126 N 0.13 1.11 0.00 0.39 -0.02 -1.26 -1.83 135.00 133.51 2wub n PRO 126 Ca -0.01 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2wub n PRO 126 Cb 0.52 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 2wub n PRO 126 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wub n GLY 127 N 2.84 1.41 3.63 -1.23 0.00 -1.26 -4.95 105.19 105.63 2wub n GLY 127 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 2wub n GLY 127 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wub n SER 128 N 0.27 0.78 -4.01 1.61 3.41 -0.76 -5.03 113.62 109.89 2wub n SER 128 Ca 0.00 0.73 -0.10 0.00 -0.26 0.00 0.00 58.87 59.24 2wub n SER 128 Cb 0.00 -1.42 -0.08 0.00 -0.26 0.00 0.00 64.21 62.45 2wub n SER 128 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2wub s THR 129 N -1.66 0.06 -0.02 6.66 -4.23 -1.26 -4.84 115.64 110.35 2wub s THR 129 Ca 0.76 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2wub s THR 129 Cb -0.37 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 2wub s THR 129 CO 0.47 -0.29 0.02 -0.36 -0.54 0.00 0.00 174.62 173.92 2wub s PHE 130 N -4.00 3.15 0.36 3.99 0.40 -1.26 -5.08 117.98 115.53 2wub s PHE 130 Ca 0.20 0.14 -0.27 0.00 -0.60 0.00 0.00 56.93 56.39 2wub s PHE 130 Cb 0.04 -1.71 -0.12 0.00 0.51 0.00 0.00 43.02 41.74 2wub s PHE 130 CO 0.01 0.49 1.22 -0.35 0.70 0.00 0.00 175.22 177.29 2wub n PRO 131 N 1.49 1.90 -1.74 0.24 -0.04 -1.26 -4.91 135.00 130.68 2wub n PRO 131 Ca -0.15 0.67 -0.41 0.00 -0.04 0.00 0.00 63.50 63.57 2wub n PRO 131 Cb 0.53 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 2wub n PRO 131 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wub n ALA 132 N 0.14 1.86 0.00 0.55 0.00 -1.26 -2.12 120.51 119.67 2wub n ALA 132 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2wub n ALA 132 Cb 0.36 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2wub n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wub n GLY 133 N 0.62 2.27 3.64 0.00 0.00 -0.13 -4.92 105.19 106.67 2wub n GLY 133 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 2wub n GLY 133 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wub n HIS 134 N -2.00 1.79 -2.72 1.61 -0.00 -0.90 -4.26 115.22 108.74 2wub n HIS 134 Ca 0.00 0.58 -0.43 0.00 -0.00 0.00 0.00 57.72 57.87 2wub n HIS 134 Cb 0.00 -2.36 -0.03 0.00 -0.00 0.00 0.00 29.99 27.60 2wub n HIS 134 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2wub s LYS 135 N -1.02 3.46 0.31 1.57 1.02 -1.26 -2.09 119.74 121.72 2wub s LYS 135 Ca 0.64 0.05 0.07 0.00 0.02 0.00 0.00 55.97 56.75 2wub s LYS 135 Cb -0.68 -4.01 -0.02 0.00 -0.52 0.00 0.00 37.83 32.59 2wub s LYS 135 CO 0.56 -1.53 0.33 0.00 -0.92 0.00 0.00 175.35 173.78 2wub s GLN 137 N -4.01 1.41 0.00 0.00 0.74 0.15 -0.32 119.66 117.63 2wub s GLN 137 Ca 0.40 -1.37 0.00 0.00 0.05 0.00 0.00 55.36 54.44 2wub s GLN 137 Cb -0.07 -1.87 -0.00 0.00 1.10 0.00 0.00 33.01 32.16 2wub s GLN 137 CO 0.28 0.44 -0.01 0.96 -0.55 0.00 0.00 175.29 176.40 2wub s ILE 138 N -1.16 0.11 0.10 -2.34 -4.36 -0.71 -1.35 121.20 111.49 2wub s ILE 138 Ca 0.15 -0.14 0.04 0.00 -0.26 0.00 0.00 60.65 60.44 2wub s ILE 138 Cb -0.10 -0.11 -0.04 0.00 1.25 0.00 0.00 42.46 43.46 2wub s ILE 138 CO 0.07 -0.02 -0.11 0.00 0.24 0.00 0.00 174.94 175.12 2wub s ALA 139 N -0.17 1.16 0.00 2.27 0.00 -1.26 -2.01 121.76 121.75 2wub s ALA 139 Ca -0.01 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.75 2wub s ALA 139 Cb -0.01 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.12 2wub s ALA 139 CO -0.00 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.15 2wub n GLY 140 N 0.56 1.66 2.03 0.00 0.00 -1.05 -4.75 105.19 103.63 2wub n GLY 140 Ca -0.16 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.82 2wub n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wub n TRP 141 N -0.51 2.55 -0.58 1.61 8.01 -1.26 -2.94 117.44 124.32 2wub n TRP 141 Ca 0.00 -1.69 -0.21 0.00 -1.31 0.00 0.00 57.50 54.29 2wub n TRP 141 Cb 0.00 -0.86 0.19 0.00 -2.01 0.00 0.00 31.31 28.63 2wub n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wub n GLY 142 N -0.84 -3.19 3.56 6.99 0.00 -1.26 -3.56 105.19 106.90 2wub n GLY 142 Ca 0.50 -1.39 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 2wub n GLY 142 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wub s HIS 143 N -2.13 2.01 0.00 1.61 3.76 -0.69 -3.98 115.29 115.87 2wub s HIS 143 Ca 0.48 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.62 2wub s HIS 143 Cb -0.06 -4.28 0.00 0.00 1.11 0.00 0.00 32.58 29.35 2wub s HIS 143 CO 0.38 -1.94 0.00 0.45 -0.85 0.00 0.00 174.74 172.79 2wub n SER 152 N 11.99 0.00 -0.00 1.40 2.88 -1.23 -3.77 113.62 124.88 2wub n SER 152 Ca 0.31 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2wub n SER 152 Cb 0.49 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2wub n SER 152 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2wub n SER 153 N 0.00 0.09 -4.80 -3.46 2.88 -1.26 -4.62 113.62 102.45 2wub n SER 153 Ca 0.00 0.04 -0.34 0.00 -1.33 0.00 0.00 58.87 57.24 2wub n SER 153 Cb 0.00 -0.51 -0.03 0.00 -0.75 0.00 0.00 64.21 62.91 2wub n SER 153 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2wub s SER 154 N -4.04 6.36 -0.15 -3.46 0.15 -1.26 -0.25 113.70 111.05 2wub s SER 154 Ca -0.01 1.90 -0.29 0.00 0.70 0.00 0.00 55.95 58.25 2wub s SER 154 Cb 0.00 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.70 2wub s SER 154 CO 0.02 -0.77 2.12 -0.22 1.20 0.00 0.00 173.24 175.59 2wub s LEU 155 N -3.53 3.73 0.61 3.45 2.96 0.20 -4.86 118.68 121.23 2wub s LEU 155 Ca 0.67 2.08 -0.04 0.00 -0.22 0.00 0.00 54.13 56.61 2wub s LEU 155 Cb -0.16 -3.52 0.03 0.00 0.50 0.00 0.00 46.19 43.05 2wub s LEU 155 CO 0.21 -1.69 0.90 -0.13 -1.32 0.00 0.00 176.35 174.31 2wub s ARG 156 N 5.78 2.58 0.25 1.98 1.81 -1.15 -2.21 118.95 127.98 2wub s ARG 156 Ca 0.96 -0.30 -0.22 0.00 -1.72 0.00 0.00 55.73 54.45 2wub s ARG 156 Cb -0.35 -2.30 0.03 0.00 -0.45 0.00 0.00 34.95 31.88 2wub s ARG 156 CO 0.37 -0.87 0.75 -1.83 -0.68 0.00 0.00 175.30 173.04 2wub s GLU 157 N -5.00 1.64 -0.09 3.54 -1.05 -1.21 -2.52 118.70 114.01 2wub s GLU 157 Ca 0.56 -0.89 -0.32 0.00 -0.15 0.00 0.00 54.97 54.17 2wub s GLU 157 Cb -0.11 0.57 0.13 0.00 -0.44 0.00 0.00 34.13 34.29 2wub s GLU 157 CO 0.43 -0.75 1.24 0.00 0.95 0.00 0.00 175.26 177.13 2wub s ALA 158 N -3.79 -2.14 -0.08 -0.84 0.00 -0.85 -2.94 121.76 111.11 2wub s ALA 158 Ca 0.10 1.11 0.02 0.00 0.00 0.00 0.00 51.96 53.19 2wub s ALA 158 Cb -0.05 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2wub s ALA 158 CO 0.05 -0.84 -0.11 -0.51 0.00 0.00 0.00 175.76 174.35 2wub s LEU 159 N -2.60 2.91 -0.04 0.00 1.43 -1.26 -1.73 118.68 117.38 2wub s LEU 159 Ca 0.12 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 2wub s LEU 159 Cb 0.02 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.64 2wub s LEU 159 CO -0.04 0.31 -0.04 0.68 0.23 0.00 0.00 176.35 177.49 2wub s VAL 160 N -0.50 0.49 0.34 -1.59 -7.23 0.56 -4.98 120.40 107.50 2wub s VAL 160 Ca 0.07 -0.11 -0.20 0.00 -1.81 0.00 0.00 61.98 59.93 2wub s VAL 160 Cb -0.12 -0.52 -0.10 0.00 0.56 0.00 0.00 36.38 36.20 2wub s VAL 160 CO 0.02 0.21 0.85 -2.16 -0.31 0.00 0.00 175.10 173.71 2wub s PRO 161 N 0.87 4.24 0.44 4.82 0.04 -1.26 -1.21 135.00 142.95 2wub s PRO 161 Ca -0.11 1.00 -0.21 0.00 0.04 0.00 0.00 61.00 61.71 2wub s PRO 161 Cb -0.14 -2.50 -0.10 0.00 0.04 0.00 0.00 34.50 31.81 2wub s PRO 161 CO 0.00 0.16 0.99 -0.51 0.04 0.00 0.00 177.00 177.68 2wub s LEU 162 N -2.69 3.94 0.04 -3.56 1.43 -0.89 -1.13 118.68 115.83 2wub s LEU 162 Ca 0.54 1.83 0.06 0.00 -1.03 0.00 0.00 54.13 55.53 2wub s LEU 162 Cb -0.13 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.57 2wub s LEU 162 CO 0.18 -0.53 -0.12 -0.69 0.23 0.00 0.00 176.35 175.42 2wub s VAL 163 N -2.02 3.23 0.15 -1.59 1.01 -1.20 -0.95 120.40 119.03 2wub s VAL 163 Ca 0.63 -1.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.23 2wub s VAL 163 Cb -0.14 -2.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 2wub s VAL 163 CO 0.18 0.30 1.46 0.00 0.00 0.00 0.00 175.10 177.04 2wub s ALA 164 N -1.03 3.67 0.28 5.51 0.00 -1.26 -4.64 121.76 124.29 2wub s ALA 164 Ca 0.17 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.39 2wub s ALA 164 Cb -0.11 -3.57 0.68 0.00 0.00 0.00 0.00 23.12 20.12 2wub s ALA 164 CO 0.08 -0.69 1.69 -0.44 0.00 0.00 0.00 175.76 176.40 2wub h ASP 165 N 6.62 0.22 0.10 0.00 3.32 -1.98 0.77 116.42 125.46 2wub h ASP 165 Ca -0.43 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.78 2wub h ASP 165 Cb 1.21 0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.93 2wub h ASP 165 CO 0.87 -0.03 0.00 1.41 -1.72 0.00 0.00 179.24 179.77 2wub n HIS 166 N -5.09 0.02 0.24 4.55 8.25 -1.26 -0.20 115.22 121.73 2wub n HIS 166 Ca 0.21 0.01 0.03 0.00 -0.26 0.00 0.00 57.72 57.71 2wub n HIS 166 Cb 0.63 -0.52 0.02 0.00 1.12 0.00 0.00 29.99 31.24 2wub n HIS 166 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wub n LYS 167 N -1.52 -0.13 -0.12 -0.41 4.76 0.26 -4.17 118.16 116.83 2wub n LYS 167 Ca 0.01 -0.84 -0.14 0.00 -2.87 0.00 0.00 58.31 54.47 2wub n LYS 167 Cb 0.03 -1.11 -0.14 0.00 -1.84 0.00 0.00 35.03 31.98 2wub n LYS 167 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wub n SER 169 N -3.02 2.35 -4.75 0.00 7.64 -0.50 -2.64 113.62 112.70 2wub n SER 169 Ca -0.40 -1.92 -0.41 0.00 1.01 0.00 0.00 58.87 57.15 2wub n SER 169 Cb 1.07 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 64.00 2wub n SER 169 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2wub s SER 170 N -1.21 6.88 0.59 6.43 0.01 -1.26 -3.80 113.70 121.34 2wub s SER 170 Ca 0.32 2.52 0.29 0.00 1.31 0.00 0.00 55.95 60.39 2wub s SER 170 Cb 0.17 -2.63 1.57 0.00 0.21 0.00 0.00 66.02 65.34 2wub s SER 170 CO 0.24 -0.49 2.00 1.55 0.41 0.00 0.00 173.24 176.94 2wub h PRO 170 N 4.33 0.00 -0.04 12.44 0.13 -1.91 0.92 132.00 147.86 2wub h PRO 170 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2wub h PRO 170 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2wub h PRO 170 CO 0.71 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.63 2wub n GLU 170 N -3.75 1.29 0.00 0.86 0.00 -1.26 -4.33 120.64 113.46 2wub n GLU 170 Ca 0.05 -0.43 0.00 0.00 0.00 0.00 0.00 57.16 56.77 2wub n GLU 170 Cb 0.49 -1.39 0.00 0.00 0.00 0.00 0.00 31.44 30.54 2wub n GLU 170 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2wub n VAL 171 N -0.40 0.00 -1.57 3.84 0.31 0.31 -5.00 118.33 115.81 2wub n VAL 171 Ca 0.18 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.52 2wub n VAL 171 Cb 0.19 -0.37 0.03 0.00 -0.91 0.00 0.00 33.84 32.78 2wub n VAL 171 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2wub n TYR 172 N -0.85 0.00 0.00 3.52 4.01 -0.62 -4.99 117.16 118.23 2wub n TYR 172 Ca 0.00 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 2wub n TYR 172 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 38.97 2wub n TYR 172 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wub n GLY 173 N -0.30 2.60 1.37 2.72 0.00 -0.77 -1.05 105.19 109.75 2wub n GLY 173 Ca 0.03 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.31 2wub n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wub n ALA 174 N 9.25 2.76 1.29 4.61 0.00 -1.26 -4.23 120.51 132.93 2wub n ALA 174 Ca 0.00 -1.50 0.13 0.00 0.00 0.00 0.00 53.44 52.07 2wub n ALA 174 Cb 0.00 -0.90 0.67 0.00 0.00 0.00 0.00 19.45 19.23 2wub n ALA 174 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wub n ASP 175 N 1.12 0.00 -4.47 0.00 8.00 -0.21 -4.62 116.55 116.38 2wub n ASP 175 Ca 0.24 -0.20 -0.40 0.00 0.71 0.00 0.00 54.79 55.14 2wub n ASP 175 Cb 0.76 -0.24 -0.11 0.00 -0.02 0.00 0.00 41.12 41.50 2wub n ASP 175 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2wub s ILE 176 N -2.48 4.88 0.56 0.53 -1.09 -1.25 -5.01 121.20 117.34 2wub s ILE 176 Ca 0.27 -0.42 0.03 0.00 -2.23 0.00 0.00 60.65 58.31 2wub s ILE 176 Cb 0.18 -3.54 0.05 0.00 -1.58 0.00 0.00 42.46 37.57 2wub s ILE 176 CO 0.38 -0.02 0.77 -0.94 -1.23 0.00 0.00 174.94 173.90 2wub s SER 177 N 1.65 5.17 0.00 3.58 1.04 -1.26 -4.96 113.70 118.91 2wub s SER 177 Ca 0.05 -0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.28 2wub s SER 177 Cb -0.18 -0.54 0.30 0.00 0.10 0.00 0.00 66.02 65.71 2wub s SER 177 CO 0.08 -1.22 1.15 -0.81 0.98 0.00 0.00 173.24 173.43 2wub n PRO 178 N -2.32 0.04 -0.97 4.02 -0.04 -1.26 -1.50 135.00 132.97 2wub n PRO 178 Ca 0.10 0.33 -0.03 0.00 -0.04 0.00 0.00 63.50 63.86 2wub n PRO 178 Cb 0.60 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.88 2wub n PRO 178 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wub n ASN 179 N -1.42 4.97 -3.91 3.54 3.02 -1.26 -4.86 115.26 115.35 2wub n ASN 179 Ca 0.02 -3.11 -0.20 0.00 -0.03 0.00 0.00 54.58 51.26 2wub n ASN 179 Cb 0.07 -0.73 -0.09 0.00 -0.61 0.00 0.00 39.78 38.42 2wub n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wub s MET 180 N -2.85 1.68 -0.30 3.52 -1.94 -0.56 -1.80 119.30 117.06 2wub s MET 180 Ca 0.53 -1.98 -0.23 0.00 -1.71 0.00 0.00 55.69 52.31 2wub s MET 180 Cb 0.42 -0.12 0.18 0.00 2.01 0.00 0.00 34.83 37.32 2wub s MET 180 CO 0.14 -0.49 1.33 -0.48 -0.01 0.00 0.00 175.02 175.51 2wub s LEU 181 N -3.42 -0.13 0.61 -0.03 0.05 -0.73 -4.60 118.68 110.43 2wub s LEU 181 Ca 0.34 0.23 -0.08 0.00 0.05 0.00 0.00 54.13 54.68 2wub s LEU 181 Cb 0.04 1.23 0.00 0.00 -2.05 0.00 0.00 46.19 45.41 2wub s LEU 181 CO 0.19 -0.04 0.94 0.00 -0.55 0.00 0.00 176.35 176.89 2wub s ALA 183 N -3.07 -3.52 0.00 0.00 0.00 -0.27 -3.27 121.76 111.63 2wub s ALA 183 Ca 0.54 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.89 2wub s ALA 183 Cb -0.11 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.39 2wub s ALA 183 CO 0.47 -1.75 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2wub n GLY 184 N 5.32 -0.50 3.32 0.00 0.00 -0.29 -2.64 105.19 110.39 2wub n GLY 184 Ca 0.01 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 2wub n GLY 184 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wub n TYR 184 N 7.16 0.50 -2.25 1.61 4.02 -1.26 -4.47 117.16 122.47 2wub n TYR 184 Ca 0.00 -2.47 -0.21 0.00 -0.01 0.00 0.00 57.90 55.21 2wub n TYR 184 Cb 0.00 -0.12 0.02 0.00 -0.02 0.00 0.00 39.34 39.22 2wub n TYR 184 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2wub n PHE 185 N -1.00 2.66 -2.69 -0.72 3.01 -1.26 -2.47 117.46 114.98 2wub n PHE 185 Ca -0.11 -2.44 0.01 0.00 1.01 0.00 0.00 57.45 55.92 2wub n PHE 185 Cb 0.60 -0.27 0.01 0.00 -0.01 0.00 0.00 39.48 39.81 2wub n PHE 185 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 2wub s ASP 186 N -3.59 -0.11 0.01 4.37 3.84 -1.26 -3.36 116.67 116.56 2wub s ASP 186 Ca 0.46 -0.07 0.00 0.00 -0.00 0.00 0.00 52.55 52.95 2wub s ASP 186 Cb 0.40 0.15 0.00 0.00 -1.38 0.00 0.00 42.92 42.09 2wub s ASP 186 CO -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 175.17 175.14 2wub n LYS 188 N 0.00 0.00 -3.01 0.00 3.00 -1.26 -3.84 118.16 113.06 2wub n LYS 188 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 2wub n LYS 188 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 2wub n LYS 188 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 2wub s SER 188 N -4.00 -0.86 0.00 3.14 1.04 -1.26 -4.65 113.70 107.11 2wub s SER 188 Ca 0.00 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2wub s SER 188 Cb 0.00 1.21 0.00 0.00 0.10 0.00 0.00 66.02 67.33 2wub s SER 188 CO 0.00 -0.11 0.00 -0.67 0.98 0.00 0.00 173.24 173.44 2wub n ASP 189 N 4.32 0.00 -3.15 7.02 2.03 -0.63 -4.80 116.55 121.34 2wub n ASP 189 Ca 0.08 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.43 2wub n ASP 189 Cb 0.59 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.99 2wub n ASP 189 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wub s ALA 190 N -3.14 -2.62 1.00 -1.67 0.00 -1.26 -2.63 121.76 111.44 2wub s ALA 190 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2wub s ALA 190 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2wub s ALA 190 CO 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 175.76 174.07 2wub s GLN 192 N -2.00 1.41 0.00 0.00 -2.07 -1.26 -3.89 119.66 111.85 2wub s GLN 192 Ca 0.00 1.27 0.00 0.00 -1.82 0.00 0.00 55.36 54.81 2wub s GLN 192 Cb 0.00 -1.79 0.00 0.00 -1.09 0.00 0.00 33.01 30.13 2wub s GLN 192 CO 0.00 -2.27 0.00 0.41 -1.32 0.00 0.00 175.29 172.11 2wub n GLY 193 N -0.47 2.95 0.00 2.60 0.00 -1.26 -1.71 105.19 107.30 2wub n GLY 193 Ca 0.10 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 2wub n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wub n ASP 194 N 0.00 0.79 -4.53 1.61 8.00 -1.25 -4.02 116.55 117.15 2wub n ASP 194 Ca 0.00 -0.86 -0.56 0.00 0.71 0.00 0.00 54.79 54.08 2wub n ASP 194 Cb 0.00 1.03 -0.07 0.00 -0.02 0.00 0.00 41.12 42.06 2wub n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2wub n SER 195 N -1.42 0.51 0.00 -2.24 7.64 -1.26 0.56 113.62 117.42 2wub n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2wub n SER 195 Cb 0.27 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2wub n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wub n GLY 196 N 1.85 0.60 3.84 0.23 0.00 0.93 -1.75 105.19 110.89 2wub n GLY 196 Ca 0.19 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2wub n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wub s GLY 197 N -2.07 2.44 0.73 -0.02 0.00 0.19 -3.07 107.32 105.52 2wub s GLY 197 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 2wub s GLY 197 CO 0.00 0.30 1.12 2.56 0.00 0.00 0.00 173.10 177.08 2wub s PRO 198 N -2.52 2.35 -0.63 2.90 0.04 -1.26 -0.80 135.00 135.08 2wub s PRO 198 Ca 0.48 1.40 0.05 0.00 0.04 0.00 0.00 61.00 62.97 2wub s PRO 198 Cb -0.13 -1.89 0.20 0.00 0.04 0.00 0.00 34.50 32.71 2wub s PRO 198 CO 0.19 -1.60 0.55 -0.11 0.04 0.00 0.00 177.00 176.07 2wub n LEU 199 N -2.99 2.57 -4.67 -3.56 7.94 -0.43 -4.47 117.00 111.39 2wub n LEU 199 Ca 0.11 -5.13 -0.42 0.00 -1.11 0.00 0.00 56.01 49.45 2wub n LEU 199 Cb 0.52 -0.46 -0.03 0.00 0.53 0.00 0.00 43.42 43.98 2wub n LEU 199 CO 0.50 1.88 1.14 0.00 -1.11 0.00 0.00 177.39 179.80 2wub s ALA 200 N -1.53 3.60 -0.08 1.96 0.00 -0.46 -2.39 121.76 122.87 2wub s ALA 200 Ca 0.31 0.74 0.04 0.00 0.00 0.00 0.00 51.96 53.05 2wub s ALA 200 Cb 0.04 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 2wub s ALA 200 CO -0.13 -1.08 -0.22 0.00 0.00 0.00 0.00 175.76 174.34 2wub s GLU 202 N -0.03 3.61 -0.30 0.00 2.12 -1.26 -1.25 118.70 121.60 2wub s GLU 202 Ca -0.06 -0.06 -0.06 0.00 0.36 0.00 0.00 54.97 55.14 2wub s GLU 202 Cb -0.15 -2.69 0.16 0.00 0.26 0.00 0.00 34.13 31.71 2wub s GLU 202 CO 0.05 0.26 0.67 0.21 -0.54 0.00 0.00 175.26 175.91 2wub s LYS 203 N -3.45 0.54 -1.05 4.30 2.36 0.11 -4.89 119.74 117.66 2wub s LYS 203 Ca 0.43 1.16 0.00 0.00 -2.55 0.00 0.00 55.97 55.01 2wub s LYS 203 Cb -0.11 0.68 0.00 0.00 -1.05 0.00 0.00 37.83 37.35 2wub s LYS 203 CO 0.29 -0.38 0.00 0.09 1.55 0.00 0.00 175.35 176.90 2wub n ASN 204 N 5.41 -3.89 0.00 1.43 4.13 -1.26 -1.91 115.26 119.17 2wub n ASN 204 Ca -0.07 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.23 2wub n ASN 204 Cb 0.50 -3.00 0.00 0.00 -1.54 0.00 0.00 39.78 35.74 2wub n ASN 204 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wub n GLY 205 N -1.09 1.11 3.87 7.41 0.00 -1.26 -5.03 105.19 110.20 2wub n GLY 205 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2wub n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wub s VAL 206 N -3.61 5.04 -0.11 1.61 1.01 -0.80 -5.08 120.40 118.46 2wub s VAL 206 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 2wub s VAL 206 Cb 0.00 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 2wub s VAL 206 CO 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 175.10 175.11 2wub s ALA 207 N -1.55 2.97 -0.02 5.51 0.00 -1.26 0.08 121.76 127.49 2wub s ALA 207 Ca 0.33 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2wub s ALA 207 Cb -0.12 -1.39 -0.01 0.00 0.00 0.00 0.00 23.12 21.60 2wub s ALA 207 CO 0.26 0.38 -0.20 0.71 0.00 0.00 0.00 175.76 176.91 2wub s TYR 208 N -0.17 1.85 -1.14 0.00 1.51 -0.38 -2.71 117.35 116.31 2wub s TYR 208 Ca 0.03 -0.36 -0.21 0.00 -1.01 0.00 0.00 57.07 55.51 2wub s TYR 208 Cb -0.13 -1.19 0.03 0.00 -0.11 0.00 0.00 41.96 40.55 2wub s TYR 208 CO 0.03 -0.04 1.69 -1.17 -1.11 0.00 0.00 175.55 174.95 2wub s LEU 209 N -0.44 3.53 0.09 -1.29 2.96 -0.33 -1.76 118.68 121.44 2wub s LEU 209 Ca 0.07 -1.78 -0.10 0.00 -0.22 0.00 0.00 54.13 52.10 2wub s LEU 209 Cb -0.08 -2.58 -0.21 0.00 0.50 0.00 0.00 46.19 43.82 2wub s LEU 209 CO -0.01 -1.75 1.19 0.22 -1.32 0.00 0.00 176.35 174.69 2wub h TYR 210 N 9.09 0.82 -4.38 5.38 3.20 -1.80 -3.39 116.97 125.88 2wub h TYR 210 Ca 0.29 -0.49 -0.20 0.00 3.14 0.00 0.00 58.73 61.47 2wub h TYR 210 Cb 0.94 -0.08 -0.14 0.00 1.54 0.00 0.00 36.73 39.00 2wub h TYR 210 CO 1.32 1.33 -0.52 0.20 -1.64 0.00 0.00 178.16 178.85 2wub s GLY 211 N -4.44 1.21 -0.07 1.82 0.00 -1.20 -2.42 107.32 102.22 2wub s GLY 211 Ca -0.08 -1.51 0.03 0.00 0.00 0.00 0.00 44.72 43.17 2wub s GLY 211 CO 0.90 -1.24 -0.15 -0.42 0.00 0.00 0.00 173.10 172.20 2wub s ILE 212 N -4.12 1.32 -0.37 0.90 1.01 -0.99 -1.31 121.20 117.65 2wub s ILE 212 Ca 0.34 -0.59 -0.28 0.00 0.00 0.00 0.00 60.65 60.12 2wub s ILE 212 Cb 0.05 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2wub s ILE 212 CO 0.10 0.40 2.04 -0.63 0.00 0.00 0.00 174.94 176.85 2wub s ILE 213 N 0.54 3.24 0.00 2.92 1.01 0.02 0.11 121.20 129.04 2wub s ILE 213 Ca -0.14 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.73 2wub s ILE 213 Cb -0.16 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.92 2wub s ILE 213 CO 0.05 -0.29 0.00 -1.20 0.00 0.00 0.00 174.94 173.49 2wub n SER 214 N 12.05 0.00 -0.21 3.58 7.64 -0.90 -0.05 113.62 135.74 2wub n SER 214 Ca 0.27 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2wub n SER 214 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2wub n SER 214 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 2wub n TRP 215 N 0.00 0.00 0.00 1.43 4.27 -1.18 -4.85 117.44 117.11 2wub n TRP 215 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2wub n TRP 215 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 2wub n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2wub n GLY 216 N 4.03 0.32 2.28 -1.67 0.00 -1.26 -2.01 105.19 106.88 2wub n GLY 216 Ca 0.00 -1.98 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 2wub n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wub n ARG 221 N 0.97 0.00 -3.23 0.00 1.74 -1.26 -4.91 116.66 109.96 2wub n ARG 221 Ca 0.24 0.00 -0.32 0.00 -0.77 0.00 0.00 57.85 57.00 2wub n ARG 221 Cb 0.53 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.91 2wub n ARG 221 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2wub s LEU 222 N 0.00 4.08 -1.68 0.55 2.96 -1.26 -3.82 118.68 119.52 2wub s LEU 222 Ca 0.00 1.10 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 2wub s LEU 222 Cb 0.00 -3.89 0.00 0.00 0.50 0.00 0.00 46.19 42.80 2wub s LEU 222 CO 0.00 -0.17 0.00 1.57 -1.32 0.00 0.00 176.35 176.43 2wub n HIS 223 N -0.38 -0.50 -3.65 5.38 -0.00 -1.21 -4.90 115.22 109.96 2wub n HIS 223 Ca 0.02 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.09 2wub n HIS 223 Cb 0.53 -3.11 -0.11 0.00 -0.12 0.00 0.00 29.99 27.17 2wub n HIS 223 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2wub s LYS 224 N -3.90 0.23 0.25 1.57 -0.14 -1.26 -4.89 119.74 111.60 2wub s LYS 224 Ca 0.00 0.86 -0.04 0.00 -1.36 0.00 0.00 55.97 55.43 2wub s LYS 224 Cb 0.00 0.09 0.06 0.00 -1.68 0.00 0.00 37.83 36.30 2wub s LYS 224 CO 0.00 -0.29 0.30 -0.35 -0.76 0.00 0.00 175.35 174.25 2wub n PRO 225 N 5.37 -0.69 -3.62 -1.68 -0.04 -1.03 -4.62 135.00 128.70 2wub n PRO 225 Ca -0.07 -0.46 -0.29 0.00 -0.04 0.00 0.00 63.50 62.63 2wub n PRO 225 Cb 0.50 -0.34 -0.04 0.00 -0.04 0.00 0.00 33.50 33.57 2wub n PRO 225 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2wub s GLY 226 N -3.46 1.99 -0.20 0.55 0.00 -1.08 -4.84 107.32 100.29 2wub s GLY 226 Ca 0.17 -0.66 -0.05 0.00 0.00 0.00 0.00 44.72 44.18 2wub s GLY 226 CO 0.13 -0.59 -0.00 0.14 0.00 0.00 0.00 173.10 172.77 2wub s VAL 227 N -1.82 3.92 0.12 1.40 1.01 -0.85 -1.11 120.40 123.06 2wub s VAL 227 Ca 0.41 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 62.14 2wub s VAL 227 Cb -0.11 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2wub s VAL 227 CO 0.27 0.43 -0.20 -0.31 0.00 0.00 0.00 175.10 175.29 2wub s TYR 228 N 1.00 1.79 0.02 5.22 1.51 0.01 -2.12 117.35 124.79 2wub s TYR 228 Ca 0.02 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.33 2wub s TYR 228 Cb -0.14 -0.95 -0.06 0.00 -0.11 0.00 0.00 41.96 40.69 2wub s TYR 228 CO 0.02 0.24 1.46 0.99 -1.11 0.00 0.00 175.55 177.15 2wub s THR 229 N -1.47 3.53 -1.03 -0.71 2.01 0.12 -1.78 115.64 116.30 2wub s THR 229 Ca 0.09 0.94 -0.21 0.00 0.31 0.00 0.00 61.69 62.82 2wub s THR 229 Cb -0.09 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 2wub s THR 229 CO 0.05 0.00 1.94 -1.14 -0.69 0.00 0.00 174.62 174.79 2wub n ARG 230 N 5.34 1.86 -0.52 4.92 0.63 -0.74 -2.34 116.66 125.81 2wub n ARG 230 Ca 0.14 -2.27 0.42 0.00 -0.92 0.00 0.00 57.85 55.22 2wub n ARG 230 Cb 0.43 -3.27 0.71 0.00 0.45 0.00 0.00 32.46 30.77 2wub n ARG 230 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2wub h VAL 231 N 5.05 0.04 -0.97 5.15 2.07 -1.78 -0.63 116.25 125.19 2wub h VAL 231 Ca 0.38 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.95 2wub h VAL 231 Cb 0.77 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 2wub h VAL 231 CO 1.68 0.00 0.63 0.00 0.02 0.00 0.00 177.57 179.90 2wub h ALA 232 N 1.47 1.43 0.00 1.67 0.00 -1.86 -1.60 119.26 120.37 2wub h ALA 232 Ca 0.88 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.76 2wub h ALA 232 Cb 2.98 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 20.47 2wub h ALA 232 CO -0.35 0.43 0.01 0.09 0.00 0.00 0.00 179.25 179.43 2wub n ASN 233 N -4.48 0.34 0.00 0.00 4.13 -0.24 -2.19 115.26 112.81 2wub n ASN 233 Ca 0.14 0.65 0.00 0.00 1.68 0.00 0.00 54.58 57.06 2wub n ASN 233 Cb 0.17 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.71 2wub n ASN 233 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2wub n TYR 234 N -1.95 0.00 -0.20 3.10 4.01 -0.64 -4.82 117.16 116.66 2wub n TYR 234 Ca -0.01 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.66 2wub n TYR 234 Cb 0.03 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.99 2wub n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2wub h VAL 235 N 0.09 0.00 -0.76 -0.72 2.07 -1.01 0.93 116.25 116.84 2wub h VAL 235 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 2wub h VAL 235 Cb 0.04 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.71 2wub h VAL 235 CO 0.00 0.00 -0.55 0.44 0.02 0.00 0.00 177.57 177.48 2wub h ASP 236 N -0.09 -1.96 -0.54 0.57 3.32 -1.88 0.19 116.42 116.03 2wub h ASP 236 Ca 0.08 0.29 0.11 0.00 0.02 0.00 0.00 57.03 57.52 2wub h ASP 236 Cb 0.30 0.85 -0.09 0.00 0.22 0.00 0.00 39.33 40.61 2wub h ASP 236 CO -0.51 -0.27 0.02 -0.25 -1.72 0.00 0.00 179.24 176.50 2wub h TRP 237 N -0.13 -0.01 -0.12 4.55 7.01 -1.72 0.61 115.95 126.15 2wub h TRP 237 Ca 0.12 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.19 2wub h TRP 237 Cb 0.45 0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.57 2wub h TRP 237 CO -0.92 -0.12 -0.03 0.82 -2.79 0.00 0.00 178.44 175.40 2wub h ILE 238 N 0.13 0.88 -0.90 2.65 2.04 0.11 -0.53 117.51 121.90 2wub h ILE 238 Ca 0.28 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 2wub h ILE 238 Cb 0.43 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 2wub h ILE 238 CO -0.45 0.00 0.52 0.78 0.00 0.00 0.00 178.15 179.01 2wub h ASN 239 N 0.00 1.09 -0.61 1.72 2.35 0.27 -2.03 115.58 118.38 2wub h ASN 239 Ca 0.06 -0.08 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2wub h ASN 239 Cb 0.09 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.14 2wub h ASN 239 CO -0.12 0.85 0.40 -0.78 -1.65 0.00 0.00 177.43 176.14 2wub h ASP 240 N 1.24 0.58 -0.39 5.81 3.58 0.11 1.11 116.42 128.46 2wub h ASP 240 Ca 0.32 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.69 2wub h ASP 240 Cb -0.02 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2wub h ASP 240 CO -0.06 0.39 -0.02 0.03 -2.88 0.00 0.00 179.24 176.70 2wub h ARG 241 N 0.66 0.79 0.05 0.28 2.47 -0.38 -3.27 114.38 114.99 2wub h ARG 241 Ca 0.25 -0.22 -0.35 0.00 -1.26 0.00 0.00 59.98 58.40 2wub h ARG 241 Cb 0.17 -0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.35 2wub h ARG 241 CO -0.07 0.81 -2.07 -0.89 0.56 0.00 0.00 179.97 178.31 2wub n ILE 242 N -4.21 1.62 -3.40 2.04 5.41 -0.82 -4.99 119.36 115.01 2wub n ILE 242 Ca 0.02 -0.71 -0.04 0.00 1.00 0.00 0.00 62.75 63.02 2wub n ILE 242 Cb 0.31 -1.27 -0.00 0.00 -0.71 0.00 0.00 39.64 37.97 2wub n ILE 242 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2wub n ARG 243 N -3.20 -0.98 0.00 0.38 1.85 0.38 -5.11 116.66 109.97 2wub n ARG 243 Ca -0.30 -0.31 0.00 0.00 -1.00 0.00 0.00 57.85 56.24 2wub n ARG 243 Cb 1.06 0.27 0.00 0.00 -1.05 0.00 0.00 32.46 32.74 2wub n ARG 243 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 177.63 175.32